1,3-Propanediol, 2-amino-1-phenyl-, (1S,2S)-


Chemical Name: 1,3-Propanediol, 2-amino-1-phenyl-, (1S,2S)-
CAS Number: 28143-91-1
Product Number: AG003BIM(AGN-PC-0O8K44)
Synonyms:
MDL No:
Molecular Formula: C9H13NO2
Molecular Weight: 167.2050

Identification/Properties


Properties
MP:
110 °C
BP:
360.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
26.5 ° (C=1, MeOH)
Computed Properties
Molecular Weight:
167.208g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
167.095g/mol
Monoisotopic Mass:
167.095g/mol
Topological Polar Surface Area:
66.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
124
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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